(E)-3-[4-[(2-azanyl-2-oxidanylidene-ethyl)-methyl-amino]-3-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(2-azanyl-2-oxidanylidene-ethyl)-methyl-amino]-3-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(2-amino-2-oxo-ethyl)-methyl-amino]-3-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(2-amino-2-oxoethyl)-methylamino]-3-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(2-amino-2-oxoethyl)-methylamino]-3-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(2-amino-2-keto-ethyl)-methyl-amino]-3-nitro-phenyl]acrylic acid Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N)C1=C(C=C(C=C1)C=CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)N)C1=C(C=C(C=C1)/C=C/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5/c1-14(7-11(13)16)9-4-2-8(3-5-12(17)18)6-10(9)15(19)20/h2-6H,7H2,1H3,(H2,13,16)(H,17,18)/b5-3+